3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol

C18H19NO2 — CID 154672850

IUPAC3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol
SMILESC=Cc1cc(O)cc(/N=C(\C)c2ccc(O)cc2C)c1C
InChIInChI=1S/C18H19NO2/c1-5-14-9-16(21)10-18(12(14)3)19-13(4)17-7-6-15(20)8-11(17)2/h5-10,20-21H,1H2,2-4H3/b19-13+
InChIKeyOQTCRJNWWAZWTQ-CPNJWEJPSA-N
MW281.36 g/mol
LogP4.50
Rot. Bonds3

About 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol

3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol (PubChem CID 154672850) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol.

Molecular Properties

Compound Name3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol
PubChem CID154672850
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol
SMILESC=Cc1cc(O)cc(/N=C(\C)c2ccc(O)cc2C)c1C
InChIInChI=1S/C18H19NO2/c1-5-14-9-16(21)10-18(12(14)3)19-13(4)17-7-6-15(20)8-11(17)2/h5-10,20-21H,1H2,2-4H3/b19-13+
InChIKeyOQTCRJNWWAZWTQ-CPNJWEJPSA-N
XLogP4.50
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
ethane;3-ethenyl-4-(1-hydroxyethenyl)phenol
CID 143407127
3-ethenyl-4-(ethylideneamino)phenol
CID 144863689
1-(2-ethenyl-4-methylphenyl)-N-[5-(furan-3-yl)-2-methylphenyl]ethanimine
CID 142921868
3-[(Z)-but-2-en-2-yl]-4-ethenylphenol
CID 89213419
4-amino-3-ethenyl-5-methylphenol;toluene
CID 143575640
4-[N-[2-[(2-hydroxyphenyl)methylideneamino]phenyl]-C-methylcarbonimidoyl]benzene-1,3-diol
CID 136734563
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128
2-[N-(2-hydroxyphenyl)-C-methylcarbonimidoyl]benzene-1,4-diol
CID 137120822
4-ethenylbenzene-1,3-diol
CID 10374511
4-hydroxy-2-methylbenzoyl chloride
CID 103689413
benzene-1,4-diol;4-hydroxy-2-methylbenzoic acid
CID 67940861

Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol?
The IUPAC name of 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol (CID 154672850) is 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol.
What is the SMILES notation for 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol?
The canonical SMILES for 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol is C=Cc1cc(O)cc(/N=C(\C)c2ccc(O)cc2C)c1C.
What is the InChIKey of 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol?
The InChIKey is OQTCRJNWWAZWTQ-CPNJWEJPSA-N. The full InChI is InChI=1S/C18H19NO2/c1-5-14-9-16(21)10-18(12(14)3)19-13(4)17-7-6-15(20)8-11(17)2/h5-10,20-21H,1H2,2-4H3/b19-13+.
What are the key properties of 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol?
3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol has a molecular weight of 281.36 g/mol, XLogP of 4.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-[1-(4-hydroxy-2-methylphenyl)ethylideneamino]-4-methylphenol is sourced from PubChem (CID 154672850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).